5205-63-0

Basic information

• Product Name: Diels-Alder adduct
• Synonyms: Diels-Alder adduct
• CAS NO: 5205-63-0
• Molecular Weight: 269.341
• Mol File: 5205-63-0.mol
• Article Data: 1

Chemical Properties

• CAS DataBase Reference: Diels-Alder adduct(CAS DataBase Reference)
• NIST Chemistry Reference: Diels-Alder adduct(5205-63-0)
• EPA Substance Registry System: Diels-Alder adduct(5205-63-0)

Safety Data

• Hazardous Substances Data: 5205-63-0(Hazardous Substances Data)

Upstream product

• 5006-20-2 5-ethoxy-4-methyl-oxazole 
• 5417-35-6 2-isopropyl-4,7-dihydro-[1,3]dioxepine 

Downstream Products

• 1622-67-9 4,5'-O-isobutylidenepyridoxine 
• 58-56-0 pyridoxal hydrochloride 

Relevant articles and documents

MANUFACTURE OF VITAMIN B6

A process for manufacturing a 3-unsubstituted, 3-monosubstituted or 3,3-disubstituted 9-acyloxy-1,5-dihydro-8--methylpyrido[3,4-e] [1,3]dioxepin (I) and optionally for manufacturing pyridoxine involves performing an addition reaction between a 4-methyl-5-alkoxy-oxazole (II) and a 2-unsubstituted, 2-monosubstituted or 2,2-disubstituted 4,7-dihydro-(1,3)-dioxepin (III) in the substantial absence of a solvent and a catalyst to give a product mixture consisting essentially of the appropriate Diels-Alder adduct (IV) in a major proportion and the appropriate 3--unsubstituted, 3-monosubstituted or 3,3-disubstituted 1,5-dihydro-8-methylpyrido[3,4-e] [1,3]dioxepin 9-ol (V) in a minor proportion, removal of a substantial proportion of the unreacted oxazole and dioxapin starting materials from the product mixture by distillation under reduced pressure, addition of a substantially anhydrous organic acid to said product mixture and rearrangement of the Diels-Alder adduct IV to further V in the presence of said substantially anhydrous organic acid with removal of the generated alkanol by distillation under reduced pressure, and acylation of the resultingly enriched quantity of V with an added carboxylic acid anhydride to produce the desired I, and optionally converting this so-manufactured acylation product I to pyridoxine by acid hydrolysis for achieving deprotection and deacylatiom. Pyridoxine is a well known form of vitamin B6 with well established utility.